WF2_Discovery-Workflow

microbiome-clinical-mp-2-discovery/wf2-discovery-workflow

Author(s)
Subina Mehta
version Version
0
last_modification Last updated
Dec 23, 2024
license License
CC-BY-4.0
galaxy-tags Tags
name:clinicalMP

Features

Tutorial
hands_on Clinical Metaproteomics 2: Discovery

Workflow Testing
Tests: ❌
Results: Not yet automated
FAIRness purl PURL
https://gxy.io/GTN:
RO-Crate logo with flask Download Workflow RO-Crate Workflowhub cloud with gears logo View on (Dev) WorkflowHub
Launch in Tutorial Mode question
galaxy-download Download
flowchart TD
  0["ℹ️ Input Dataset\nHuman UniProt Microbial Proteins from MetaNovo and cRAP "];
  style 0 stroke:#2c3143,stroke-width:4px;
  1["Identification Parameters: PAR file"];
  2["ℹ️ Input Collection\nRAW files Dataset Collection"];
  style 2 stroke:#2c3143,stroke-width:4px;
  3["Human SwissProt reviewed only"];
  e0de9f90-a710-4b55-af62-41ba1c2d8e1f["Output\nHuman SwissProt (reviewed only)"];
  3 --> e0de9f90-a710-4b55-af62-41ba1c2d8e1f;
  style e0de9f90-a710-4b55-af62-41ba1c2d8e1f stroke:#2c3143,stroke-width:4px;
  4["Contaminants cRAP"];
  5["ℹ️ Input Dataset\nExperimental Design Discovery MaxQuant"];
  style 5 stroke:#2c3143,stroke-width:4px;
  6["FastaCLI__MetaNovo_Human_SwissProt_cRAP_with_decoys_on_data_1_MetaNovo_Human_SwissProt_cRAP_concatenated_target_decoy.fasta"];
  0 -->|output| 6;
  7["msconvert"];
  2 -->|output| 7;
  8["Human SwissProt+cRAP"];
  3 -->|output_database| 8;
  4 -->|output_database| 8;
  2f14902f-b005-4c08-b6d1-6d7ee0b4b199["Output\nHuman SwissProt+cRAP"];
  8 --> 2f14902f-b005-4c08-b6d1-6d7ee0b4b199;
  style 2f14902f-b005-4c08-b6d1-6d7ee0b4b199 stroke:#2c3143,stroke-width:4px;
  9["MaxQuant"];
  0 -->|output| 9;
  2 -->|output| 9;
  5 -->|output| 9;
  10["Search GUI"];
  6 -->|input_database_concatenated_target_decoy| 10;
  1 -->|Identification_Parameters_File| 10;
  7 -->|output| 10;
  11["FASTA-to-Tabular"];
  8 -->|output| 11;
  12["Select microbial peptides MQ"];
  9 -->|peptides| 12;
  d7718bab-9e75-4729-bfb6-03bc3112a0e2["Output\nSelect microbial peptides (MQ)"];
  12 --> d7718bab-9e75-4729-bfb6-03bc3112a0e2;
  style d7718bab-9e75-4729-bfb6-03bc3112a0e2 stroke:#2c3143,stroke-width:4px;
  13["Peptide Shaker"];
  10 -->|searchgui_results| 13;
  14["Filter Tabular"];
  11 -->|output| 14;
  15["MQ Peptide Sequences"];
  12 -->|out_file1| 15;
  16["Select microbial peptides SGPS"];
  13 -->|output_peptides| 16;
  14fd9080-df92-4c61-b1f1-3f700a166700["Output\nSelect microbial peptides (SGPS)"];
  16 --> 14fd9080-df92-4c61-b1f1-3f700a166700;
  style 14fd9080-df92-4c61-b1f1-3f700a166700 stroke:#2c3143,stroke-width:4px;
  17["Select microbial PSMs"];
  13 -->|output_psm| 17;
  18["Remove beginning"];
  15 -->|out_file1| 18;
  19["Filter confident microbial peptides"];
  16 -->|out_file1| 19;
  1c6c953f-d192-4953-938a-9f401315bc0d["Output\nFilter confident microbial peptides"];
  19 --> 1c6c953f-d192-4953-938a-9f401315bc0d;
  style 1c6c953f-d192-4953-938a-9f401315bc0d stroke:#2c3143,stroke-width:4px;
  20["Filter confident microbial PSMs"];
  17 -->|out_file1| 20;
  d8ec7f0c-7ba1-4733-a3dc-74a9ef298dc2["Output\nFilter confident microbial PSMs"];
  20 --> d8ec7f0c-7ba1-4733-a3dc-74a9ef298dc2;
  style d8ec7f0c-7ba1-4733-a3dc-74a9ef298dc2 stroke:#2c3143,stroke-width:4px;
  21["MQ Distinct Peptides"];
  18 -->|out_file1| 21;
  07cae017-0b39-4065-b83e-b5f2e27fe740["Output\nMQ Peptides"];
  21 --> 07cae017-0b39-4065-b83e-b5f2e27fe740;
  style 07cae017-0b39-4065-b83e-b5f2e27fe740 stroke:#2c3143,stroke-width:4px;
  22["Query Tabular"];
  20 -->|out_file1| 22;
  20 -->|out_file1| 22;
  14 -->|output| 22;
  23["Cut"];
  22 -->|output| 23;
  24["SGPS Distinct Peptides"];
  23 -->|out_file1| 24;
  b6c61697-ff52-43c0-8fb4-765d7b4204cc["Output\nSGPS Distinct Peptides"];
  24 --> b6c61697-ff52-43c0-8fb4-765d7b4204cc;
  style b6c61697-ff52-43c0-8fb4-765d7b4204cc stroke:#2c3143,stroke-width:4px;
  25["SGPS-MQ Peptides"];
  21 -->|out_file1| 25;
  24 -->|out_file1| 25;
  a8c2de2e-e322-4830-9d28-2f79bf937013["Output\nSGPS-MQ Peptides"];
  25 --> a8c2de2e-e322-4830-9d28-2f79bf937013;
  style a8c2de2e-e322-4830-9d28-2f79bf937013 stroke:#2c3143,stroke-width:4px;
  26["Distinct Peptides"];
  25 -->|out_file1| 26;
  ef0d91b1-042f-4a9f-a2b6-bf73d82f24f7["Output\nDistinct Peptides"];
  26 --> ef0d91b1-042f-4a9f-a2b6-bf73d82f24f7;
  style ef0d91b1-042f-4a9f-a2b6-bf73d82f24f7 stroke:#2c3143,stroke-width:4px;

Inputs

Input Label
Input dataset Human UniProt Microbial Proteins (from MetaNovo) and cRAP
Input dataset collection RAW files (Dataset Collection)
Input dataset Experimental Design Discovery MaxQuant

Outputs

From Output Label
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/ident_params/4.0.41+galaxy1 Identification Parameters Identification Parameters: PAR file
toolshed.g2.bx.psu.edu/repos/galaxyp/dbbuilder/dbbuilder/0.3.4 Protein Database Downloader Human SwissProt (reviewed only)
toolshed.g2.bx.psu.edu/repos/galaxyp/fasta_merge_files_and_filter_unique_sequences/fasta_merge_files_and_filter_unique_sequences/1.2.0 FASTA Merge Files and Filter Unique Sequences Human SwissProt+cRAP
toolshed.g2.bx.psu.edu/repos/galaxyp/maxquant/maxquant/2.0.3.0+galaxy0 MaxQuant
Grep1 Select Select microbial peptides (MQ)
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/peptide_shaker/2.0.33+galaxy1 Peptide Shaker
Grep1 Select Select microbial peptides (SGPS)
Filter1 Filter Filter confident microbial peptides
Filter1 Filter Filter confident microbial PSMs
Grouping1 Group MQ Distinct Peptides
Grouping1 Group SGPS Distinct Peptides
toolshed.g2.bx.psu.edu/repos/bgruening/text_processing/tp_cat/0.1.1 Concatenate datasets SGPS-MQ Peptides
Grouping1 Group Distinct Peptides

Tools

Tool Links
Cut1
Filter1
Grep1
Grouping1
Remove beginning1
toolshed.g2.bx.psu.edu/repos/bgruening/text_processing/tp_cat/0.1.1 View in ToolShed
toolshed.g2.bx.psu.edu/repos/devteam/fasta_to_tabular/fasta2tab/1.1.0 View in ToolShed
toolshed.g2.bx.psu.edu/repos/galaxyp/dbbuilder/dbbuilder/0.3.4 View in ToolShed
toolshed.g2.bx.psu.edu/repos/galaxyp/fasta_merge_files_and_filter_unique_sequences/fasta_merge_files_and_filter_unique_sequences/1.2.0 View in ToolShed
toolshed.g2.bx.psu.edu/repos/galaxyp/maxquant/maxquant/2.0.3.0+galaxy0 View in ToolShed
toolshed.g2.bx.psu.edu/repos/galaxyp/msconvert/msconvert/3.0.20287.2 View in ToolShed
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/fasta_cli/4.0.41+galaxy1 View in ToolShed
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/ident_params/4.0.41+galaxy1 View in ToolShed
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/peptide_shaker/2.0.33+galaxy1 View in ToolShed
toolshed.g2.bx.psu.edu/repos/galaxyp/peptideshaker/search_gui/4.0.41+galaxy1 View in ToolShed
toolshed.g2.bx.psu.edu/repos/iuc/filter_tabular/filter_tabular/3.3.0 View in ToolShed
toolshed.g2.bx.psu.edu/repos/iuc/query_tabular/query_tabular/3.3.0 View in ToolShed

To use these workflows in Galaxy you can either click the links to download the workflows, or you can right-click and copy the link to the workflow which can be used in the Galaxy form to import workflows.

Importing into Galaxy

Below are the instructions for importing these workflows directly into your Galaxy server of choice to start using them!
Hands-on: Importing a workflow
  • Click on Workflow on the top menu bar of Galaxy. You will see a list of all your workflows.
  • Click on galaxy-upload Import at the top-right of the screen
  • Provide your workflow
    • Option 1: Paste the URL of the workflow into the box labelled “Archived Workflow URL”
    • Option 2: Upload the workflow file in the box labelled “Archived Workflow File”
  • Click the Import workflow button

Below is a short video demonstrating how to import a workflow from GitHub using this procedure:

Video: Importing a workflow from URL

Version History

Version Commit Time Comments

For Admins

Installing the workflow tools

wget https://training.galaxyproject.org/training-material/topics/microbiome/tutorials/clinical-mp-2-discovery/workflows/WF2_Discovery-Workflow.ga -O workflow.ga
workflow-to-tools -w workflow.ga -o tools.yaml
shed-tools install -g GALAXY -a API_KEY -t tools.yaml
workflow-install -g GALAXY -a API_KEY -w workflow.ga --publish-workflows